2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C25H27FN8O2 — CID 30849349

IUPAC2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCNc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(N)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H27FN8O2/c1-2-28-24-21(25-29-23(31-36-25)17-8-4-3-5-9-17)22(27)34(30-24)16-20(35)33-14-12-32(13-15-33)19-11-7-6-10-18(19)26/h3-11H,2,12-16,27H2,1H3,(H,28,30)
InChIKeySYLFGWZUEVMJOR-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.10
Rot. Bonds7

About 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 30849349) has the molecular formula C25H27FN8O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID30849349
Molecular FormulaC25H27FN8O2
Molecular Weight490.54 g/mol
Exact Mass490.22
IUPAC Name2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCNc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(N)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H27FN8O2/c1-2-28-24-21(25-29-23(31-36-25)17-8-4-3-5-9-17)22(27)34(30-24)16-20(35)33-14-12-32(13-15-33)19-11-7-6-10-18(19)26/h3-11H,2,12-16,27H2,1H3,(H,28,30)
InChIKeySYLFGWZUEVMJOR-UHFFFAOYSA-N
XLogP3.10
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 30849349) is 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is CCNc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(N)c1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is SYLFGWZUEVMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2/c1-2-28-24-21(25-29-23(31-36-25)17-8-4-3-5-9-17)22(27)34(30-24)16-20(35)33-14-12-32(13-15-33)19-11-7-6-10-18(19)26/h3-11H,2,12-16,27H2,1H3,(H,28,30).
What are the key properties of 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 490.54 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(ethylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30849349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).